SCHEMBL10697337

SCHEMBL10697337

COCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(-c1ccc(O)cc1)n3C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
MTOR P42345 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HDAC3 O15379 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10709508 0.90 DHODH (0.41) BRD4MEN1KMT2AHDAC1HDAC8
SCHEMBL10700226 0.89 MEN1 (0.41) BRD4MEN1KMT2AKDM4EHPGD
SCHEMBL10698656 0.89 BRD4 (0.46) BRD4MEN1KMT2AHDAC1HDAC8
SCHEMBL10699602 0.87 KDM4E (0.45) BRD4MEN1KMT2AKDM4EHPGD
SCHEMBL10698669 0.86 BRD4 (0.40) BRD4MEN1KMT2AKDM4EHPGD
SCHEMBL10700736 0.85 BRD4 (0.41) BRD4MEN1KMT2AHDAC1HDAC8
SCHEMBL10697806 0.84 BRD4 (0.50) BRD4MEN1KMT2AHDAC1HDAC8
SCHEMBL10695086 0.84 MEN1 (0.40) BRD4MEN1KMT2AHDAC1HDAC8
SCHEMBL10698607 0.83 CYP11B1 (0.47) BRD4MEN1KMT2AHPGDALDH1A1
SCHEMBL10700455 0.83 HDAC1 (0.42) BRD4MEN1KMT2AHDAC1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed